CID 122236060

Tert-butyl 4-(fluorosulfonyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C9H17FN2O4S
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)F
InChI
InChI=1S/C9H17FN2O4S/c1-9(2,3)16-8(13)11-4-6-12(7-5-11)17(10,14)15/h4-7H2,1-3H3
InChIKey
JWPHRWKAPJJQIP-UHFFFAOYSA-N
Compound name
tert-butyl 4-fluorosulfonylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0893 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09658 157.6
[M+Na]+ 291.07852 164.0
[M-H]- 267.08202 156.7
[M+NH4]+ 286.12312 171.8
[M+K]+ 307.05246 162.8
[M+H-H2O]+ 251.08656 150.5
[M+HCOO]- 313.08750 166.3
[M+CH3COO]- 327.10315 190.8
[M+Na-2H]- 289.06397 159.5
[M]+ 268.08875 157.5
[M]- 268.08985 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.